1-(2,5-Xylyl)piperazine → (RS)-4-[4-(2,5-Dimethyl-phenyl)-piperazine-1-carbonyl]-3-phenyl-1-(2-trifluoromethyl-benzenesulfonyl)-imidazolidin-2-one

반응식

[CH3:29][c:30]1[c:31]([N:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[cH:32][c:33]([CH3:36])[cH:34][cH:35]1.[O:1]=[C:2]1[N:3]([S:16](=[O:17])(=[O:18])[c:19]2[c:20]([C:25]([F:26])([F:27])[F:28])[cH:21][cH:22][cH:23][cH:24]2)[CH2:4][CH:5]([C:13](=[O:14])[OH:15])[N:6]1[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1>>[O:1]=[C:2]1[N:3]([S:16](=[O:17])(=[O:18])[c:19]2[c:20]([C:25]([F:26])([F:27])[F:28])[cH:21][cH:22][cH:23][cH:24]2)[CH2:4][CH:5]([C:13](=[O:14])[N:40]2[CH2:39][CH2:38][N:37]([c:31]3[c:30]([CH3:29])[cH:35][cH:34][c:33]([CH3:36])[cH:32]3)[CH2:42][CH2:41]2)[N:6]1[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1

참가 물질

반응물 2

HCID 705421-(2,5-Xylyl)piperazine

HCID 67141210(RS)-2-oxo-3-phenyl-1-(2-trifluoromethyl-benzenesulfonyl)-imidazolidine-4-carboxylic acid

생성물 1

HCID 25027934(RS)-4-[4-(2,5-Dimethyl-phenyl)-piperazine-1-carbonyl]-3-phenyl-1-(2-trifluoromethyl-benzenesulfonyl)-imidazolidin-2-one

출처 및 근거

ORD 기록: ord-918dd24e1fc04518b5cb4e9be26a7912
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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